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- Bootstrap: docker
- FROM: nvcr.io/hpc/pgi-compilers:ce
- %environment
- export XDG_RUNTIME_DIR=
- export PATH="$PATH:/opt/pgi/linux86-64/19.10/bin:/usr/local/bin:/opt/anaconda3/bin:/usr/bin"
- export LD_LIBRARY_PATH="$LD_LIBRARY_PATH:/usr/local/lib:/opt/pgi/linux86-64-llvm/2019/cuda/10.1/lib64/:/opt/pgi/linux86-64-llvm/19.10/lib"
- export LIBRARY_PATH="$LIBRARY_PATH:/usr/local/lib" CPATH="$CPATH:/usr/local/include"
- %post
- build_tmp=$(mktemp -d) && cd ${build_tmp}
- export PATH=/opt/pgi/linux86-64/19.10/bin:$PATH
- apt-get -y update
- apt-get -y dist-upgrade
- apt-get -y install --no-install-recommends \
- m4 vim-nox emacs-nox nano zip \
- python3 python3-pip python3-setuptools git-core inotify-tools \
- curl git-lfs \
- build-essential
- rm -rf /var/lib/apt/cache/*
- pip3 install --upgrade pip
- pip3 install jupyter netcdf4
- # NVIDIA Nsight Systems 2020.3.1
- apt-get update -y
- DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends apt-transport-https ca-certificates gnupg wget
- echo "deb https://developer.download.nvidia.com/devtools/repo-deb/x86_64/ /" >> /etc/apt/sources.list.d/nsight.list
- apt-get update -y
- DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends nsight-systems-2020.3.1
- apt-get install --no-install-recommends -y build-essential
- ##### START : netcdf installation #####
- cd /usr
- mkdir netcdf
- cd netcdf
- mkdir WORK_DIR
- cd /usr/netcdf/WORK_DIR
- mkdir zlib hdf5 netCDF netCDF-C++ netCDF-Fortran
- cd /usr/netcdf/WORK_DIR/zlib
- wget ftp://ftp.unidata.ucar.edu/pub/netcdf/netcdf-4/zlib-1.2.8.tar.gz
- tar -xvzf zlib-1.2.8.tar.gz
- cd /usr/netcdf/WORK_DIR/hdf5
- wget ftp://ftp.unidata.ucar.edu/pub/netcdf/netcdf-4/hdf5-1.8.12.tar.gz
- tar -xvzf hdf5-1.8.12.tar.gz
- cd /usr/netcdf/WORK_DIR/netCDF
- wget ftp://ftp.unidata.ucar.edu/pub/netcdf/old/netcdf-4.3.0.tar.gz
- tar -xvzf netcdf-4.3.0.tar.gz
- cd /usr/netcdf/WORK_DIR/netCDF-C++
- wget https://github.com/Unidata/netcdf-cxx4/archive/v4.2.1.tar.gz
- tar -xvzf v4.2.1.tar.gz
- cd /usr/netcdf/WORK_DIR/netCDF-Fortran
- wget ftp://ftp.unidata.ucar.edu/pub/netcdf/old/netcdf-fortran-4.2.tar.gz
- tar -xvzf netcdf-fortran-4.2.tar.gz
- export CC=pgcc CFLAGS="-O tp=p7-64" CXX=pgc++ CXXFLAGS="-O tp=p7-64" FC=pgfortran FCFLAGS="-O tp=p7-64" F77=pgfortran FFLAGS="-O tp=p7-64" CPPFLAGS="-DpgiFortran"
- mkdir -p /usr/local
- mkdir -p /usr/local/bin
- mkdir -p /usr/local/include
- mkdir -p /usr/local/lib
- export PATH="$PATH:/usr/local/bin" LD_LIBRARY_PATH="$LD_LIBRARY_PATH:/usr/local/lib" LIBRARY_PATH="$LIBRARY_PATH:/usr/local/lib" CPATH="$CPATH:/usr/local/include"
- # zlib
- cd /usr/netcdf/WORK_DIR/zlib/zlib-1.2.8
- ./configure --prefix=/usr/local
- make
- make install
- # hdf5
- cd /usr/netcdf/WORK_DIR/hdf5/hdf5-1.8.12
- unset CPP
- ./configure --prefix=/usr/local --enable-fortran --enable-c++
- make
- make install
- # netcdf
- export LD_LIBRARY_PATH="$LD_LIBRARY_PATH:/usr/local/lib"
- export CFLAGS="-O tp=p7-64 -I /usr/local/include"
- export LDFLAGS="-L/usr/local/lib -L/usr/local/lib"
- cd /usr/netcdf/WORK_DIR/netCDF/netcdf-4.3.0
- ./configure --prefix=/usr/local
- make
- make install
- # netcdf-c++
- export LD_LIBRARY_PATH="$LD_LIBRARY_PATH:/usr/local/hdf5/lib:/usr/local/lib"
- export CFLAGS="-O tp=p7-64 -I /usr/local/include -I /usr/local/include"
- export CPPFLAGS="-DpgiFortran -I /usr/local/include -I /usr/local/include"
- export LDFLAGS="-L/usr/local/lib -L/usr/local/lib"
- cd /usr/netcdf/WORK_DIR/netCDF-C++/netcdf-cxx4-4.2.1
- ./configure --prefix=/usr/local
- make
- make install
- # netcdf-fortran
- export CFLAGS="-O tp=p7-64 -I /usr/local/include -I /usr/local/include"
- export FCFLAGS="-O tp=p7-64 -I /usr/local/include -I /usr/local/include"
- export FFLAGS="-O tp=p7-64 -I /usr/local/include -I /usr/local/include"
- export CPPFLAGS="-DpgiFortran -I /usr/local/include -I /usr/local/include"
- unset LDFLAGS
- cd /usr/netcdf/WORK_DIR/netCDF-Fortran/netcdf-fortran-4.2
- ./configure --prefix=/usr/local
- make
- make install
-
- ##### END : netcdf installation #####
- wget https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh
- bash Miniconda3-latest-Linux-x86_64.sh -b -p /opt/anaconda3
- rm Miniconda3-latest-Linux-x86_64.sh
- /opt/anaconda3/bin/conda install -y -q netcdf4
- export LD_LIBRARY_PATH="$LD_LIBRARY_PATH:/opt/pgi/linux86-64-llvm/2019/cuda/10.1/lib64/"
- cd /
- rm -rf ${build_tmp}
- %files
- miniapps-profiler /labs
- %runscript
- "$@"
- %labels
- AUTHOR mozhgank
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